Geometry & MOs

Info

ID:	177363
PubChem CID:	76175089
Reduced:	ClNSH8C13 (1)
Stoich.:	ABCD8E13 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	83.64
Dipole, Da:	3.58
IP(EA), eV:	-9.42(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-hydroxy-4-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=CC=C(S2)C=CC#N

DOS

IR

Vibrations